1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol

C18H29NO2 — CID 63995480

IUPAC1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CCC(C)CC2C)cc1
InChIInChI=1S/C18H29NO2/c1-13-4-7-17(8-5-13)21-12-16(20)11-19-18-9-6-14(2)10-15(18)3/h4-5,7-8,14-16,18-20H,6,9-12H2,1-3H3
InChIKeySONJKVPCXHXYPH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.15
Rot. Bonds6

About 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol

1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 63995480) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID63995480
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CNC2CCC(C)CC2C)cc1
InChIInChI=1S/C18H29NO2/c1-13-4-7-17(8-5-13)21-12-16(20)11-19-18-9-6-14(2)10-15(18)3/h4-5,7-8,14-16,18-20H,6,9-12H2,1-3H3
InChIKeySONJKVPCXHXYPH-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 63995477
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
CID 63994700
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol (CID 63995480) is 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CNC2CCC(C)CC2C)cc1.
What is the InChIKey of 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is SONJKVPCXHXYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-4-7-17(8-5-13)21-12-16(20)11-19-18-9-6-14(2)10-15(18)3/h4-5,7-8,14-16,18-20H,6,9-12H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol?
1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 63995480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).